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Chemical ID: 4466561
Chemical ID:
4466561
Name [?]:
N-(2,3-dimethylphenyl)-N-(o-tolylmethyl)acetamide
SMILES [?]:
Cc1ccccc1CN(c2cccc(c2C)C)C(=O)C
InChi [?]:
InChI=1/C18H21NO/c1-13-9-7-11-18(15(13)3)19(16(4)20)12-17-10-6-5-8-14(17)2/h5-11H,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:17,1,16,20,4,5,12,3,13,6,11,8,14,2,15,18,7,10,9,19/rA:20nCCCCCCCCNCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s14;s9;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.65969 |
Area: | 444.665 |
Solvation: | -2.45693 |
Coulombic: | -16.681 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 267.365 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.23 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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